2-[(5-cyano-6-methyl-2-oxidanylidene-1H-pyrimidin-4-yl)sulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide

Systemtic Name: 2-[(5-cyano-6-methyl-2-oxidanylidene-1H-pyrimidin-4-yl)sulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide Openeye Name: 2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide CAS Name: 2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)thio]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)acetamide IUPAC Name: 2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide Traditional Name: 2-[(5-cyano-2-keto-6-methyl-1H-pyrimidin-4-yl)thio]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4)C#N

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4)C#N

InChI

InChI=1S/C20H20N4O4S/c1-12-14(10-21)18(24-19(26)22-12)29-11-17(25)23-13-5-6-15-16(9-13)28-20(27-15)7-3-2-4-8-20/h5-6,9H,2-4,7-8,11H2,1H3,(H,23,25)(H,22,24,26)